Vitas-M small molecule compound

methyl 6-oxo-6-[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]hexanoate

Catalog ID
STL563088
SMILES COC(=O)CCCCC(=O)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H24N2O3 MW 304.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N2O3/c1-10-15-12(9-11-16(15)17(11,2)3)19(18-10)13(20)7-5-6-8-14(21)22-4/h11,16H,5-9H2,1-4H3/t11-,16-/m1/s1
InChIKey
IRGCQFZBTVVNSX-BDJLRTHQSA-N
Synonyms
1212302-32-3
1212302323
1761849
COC(=O)CCCCC(=O)n1nc(c2c1C(C@@H)1(C@H)2C1(C)C)C
InChI=1SC17H24N2O3c1101512(91116(15)17(112)3)19(1810)13(20)756814(21)224h1116H59H214H3t1116m1s1
methyl6oxo6((2S4R)339trimethyl78diazatricyclo(430024)nona1(6)8dien7yl)hexanoate
methyl6oxo6((3bS4aR)344trimethyl3b44a5tetrahydro1Hcyclopropa(34)cyclopenta(12c)pyrazol1yl)hexanoate
MFCD32651393
ZINC000002106833

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.